UCSF

ZINC06321649

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2006 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 -0.98 -12.65 2 7 0 101 328.353 5
Lo Low (pH 4.5-6) 1.54 -0.51 -47.14 3 7 1 102 329.361 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )